[4-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol

C17H15NO3 — CID 106541265

IUPAC[4-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol
SMILESCOc1ccc2c(Oc3ccc(CO)cc3)nccc2c1
InChIInChI=1S/C17H15NO3/c1-20-15-6-7-16-13(10-15)8-9-18-17(16)21-14-4-2-12(11-19)3-5-14/h2-10,19H,11H2,1H3
InChIKeyHKZFCVFVBHOVHO-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.53
Rot. Bonds4

About [4-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol

[4-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol (PubChem CID 106541265) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is [4-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol.

Molecular Properties

Compound Name[4-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol
PubChem CID106541265
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name[4-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol
SMILESCOc1ccc2c(Oc3ccc(CO)cc3)nccc2c1
InChIInChI=1S/C17H15NO3/c1-20-15-6-7-16-13(10-15)8-9-18-17(16)21-14-4-2-12(11-19)3-5-14/h2-10,19H,11H2,1H3
InChIKeyHKZFCVFVBHOVHO-UHFFFAOYSA-N
XLogP3.53
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol
CID 106541270
1-(4-iodophenoxy)-6-methoxyisoquinoline
CID 106536960
(6-methoxyisoquinolin-1-yl) hydrogen carbonate
CID 70843477
4-(6-methoxyisoquinolin-1-yl)oxythiophene-2-carboxylic acid
CID 106541785
(4-methoxyphenyl)methanol
CID 7738
[4-[(3-methoxy-2-pyridinyl)oxy]phenyl]methanol
CID 113371155
2-(6-methoxyisoquinolin-1-yl)oxy-5-methylaniline
CID 106540123
4-fluoro-2-(6-methoxyisoquinolin-1-yl)oxyaniline
CID 106540081
[2-(7-methoxyisoquinolin-1-yl)oxyphenyl]methanol
CID 107713409
4-chloro-3-(6-methoxyisoquinolin-1-yl)oxyaniline
CID 106540158
4-bromo-3-(6-methoxyisoquinolin-1-yl)oxyaniline
CID 106540208
(S)-(6-methoxyisoquinolin-1-yl)-(4-methoxyphenyl)methanol
CID 125482431

Frequently Asked Questions

What is the IUPAC name of [4-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol?
The IUPAC name of [4-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol (CID 106541265) is [4-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol.
What is the SMILES notation for [4-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol?
The canonical SMILES for [4-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol is COc1ccc2c(Oc3ccc(CO)cc3)nccc2c1.
What is the InChIKey of [4-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol?
The InChIKey is HKZFCVFVBHOVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-20-15-6-7-16-13(10-15)8-9-18-17(16)21-14-4-2-12(11-19)3-5-14/h2-10,19H,11H2,1H3.
What are the key properties of [4-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol?
[4-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol has a molecular weight of 281.31 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol is sourced from PubChem (CID 106541265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).